Geometry & MOs

Info

ID:	25425
PubChem CID:	624709
Reduced:	O5H10C16 (1)
Stoich.:	A5B10C16 (1)
Weight, g/mol:	282.16198
ΔH_f, kcal/mol:	-120.29
Dipole, Da:	3.11
IP(EA), eV:	-8.93(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-6,13-dimethyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-17-one

Drug info:

PubChemData

Smile

COC(=O)C1=CC=CC2=C1C3=CC4=C(C=C3C2=O)OCO4

DOS

IR

Vibrations